Sugi Predict

Sugi Predict / Compounds / SCHEMBL1039005

SCHEMBL1039005

SCHEMBL1039005

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CYP11B1 P15538 3/20 0.41
▸ CYP11B2 P19099 3/20 0.41
▸ AR P10275 1/20 0.41
▸ PIN1 Q13526 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ MAX P61244 1/20 0.40
▸ MAPT P10636 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL564301 0.86 POLB (0.48) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL7552860 0.84 MEN1 (0.53) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL1677309 0.83 CYP19A1 (0.41) CYP19A1NPC1RAB9AARMAPT
SCHEMBL1039049 0.82 POLB (0.44) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL1038407 0.82 MEN1 (0.41) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL30061165 0.82 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27581338 0.82 MEN1 (0.51) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL646471 0.82 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL12807185 0.81 AR (0.38) CYP19A1NPC1RAB9AAR
SCHEMBL12734031 0.80 MEN1 (0.50) CYP19A1MEN1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056924-B Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL 2014-05-21 — — CN disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
CN-102056924-A Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 — — EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 CYP19A1 54/4885MEN1 2816/4885KMT2A 950/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.